BioLiP

PDB

BioLiP

PDB CCD ID:

WMU

Number of entries in BioLiP:

Chemical formula:

C11 H10 N2 O4 S2

InChI:

InChI=1S/C11H10N2O4S2/c14-18(15)10-2-1-3-11(8-10)19(16,17)13-9-4-6-12-7-5-9/h1-8,18H,(H,12,13)

InChIKey:

SENCVUABGGOOBM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=[SH](=O)c1cccc(c1)[S](=O)(=O)Nc2ccncc2
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)S(=O)(=O)Nc2ccncc2)S(=O)=O
ACDLabs 12.01	O=S(=O)(Nc1ccncc1)c1cccc(c1)S(=O)=O

Name:

3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-~{N}-pyridin-4-yl-benzenesulfonamide

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).